3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 136880683

IUPAC3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2cc(=O)[nH]cn2)C1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6-2-3-13(9(6)10(15)16)7-4-8(14)12-5-11-7/h4-6,9H,2-3H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyAMTDMTNERMXKTN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136880683) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136880683
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2cc(=O)[nH]cn2)C1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6-2-3-13(9(6)10(15)16)7-4-8(14)12-5-11-7/h4-6,9H,2-3H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyAMTDMTNERMXKTN-UHFFFAOYSA-N
XLogP0.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 136269221
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758194
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792242
1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792245
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880681
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 136880682
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958314
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958315
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958316
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136880683) is 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is CC1CCN(c2cc(=O)[nH]cn2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is AMTDMTNERMXKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-2-3-13(9(6)10(15)16)7-4-8(14)12-5-11-7/h4-6,9H,2-3H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136880683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).